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3,4-Furandicarboxylic acid, tetrahydro-2,5-diphenyl-, (2.alpha.,3.beta.,4.beta.,5.alpha.)-
SpectraBase Compound ID F5Fb0Jq0XjQ
InChI InChI=1S/C18H16O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10,13-16H,(H,19,20)(H,21,22)/t13-,14+,15+,16-
InChIKey NQUGBODTSLRVGH-SYMSYNOKSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mouESD3Mmw
Name 3,4-Furandicarboxylic acid, tetrahydro-2,5-diphenyl-, (2.alpha.,3.beta.,4.beta.,5.alpha.)-
Comments Computed using HOSE algorithm
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Exact Mass 312.099773610 u
Formula C18H16O5
InChI InChI=1S/C18H16O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10,13-16H,(H,19,20)(H,21,22)/t13-,14+,15+,16-
InChIKey NQUGBODTSLRVGH-SYMSYNOKSA-N
SMILES [C@]1([C@]([C@](C2=CC=CC=C2)(O[C@@]1(C=1C=CC=CC1)[H])[H])(C(=O)O)[H])(C(=O)O)[H]